CID 54596107

4-chloro-3-methanesulfonylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C7H8ClNO4S2
SMILES
CS(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)N)Cl
InChI
InChI=1S/C7H8ClNO4S2/c1-14(10,11)7-4-5(15(9,12)13)2-3-6(7)8/h2-4H,1H3,(H2,9,12,13)
InChIKey
NTBLRACTVZZVLP-UHFFFAOYSA-N
Compound name
4-chloro-3-methylsulfonylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.9583 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.965576 151.9
[M+Na]+ 291.947518 162.1
[M-H]- 267.951024 155.8
[M+NH4]+ 286.992123 169.2
[M+K]+ 307.921458 156.2
[M+H-H2O]+ 251.955560 147.7
[M+HCOO]- 313.956501 160.2
[M+CH3COO]- 327.972151 190.0
[M+Na-2H]- 289.932966 155.4
[M]+ 268.95775142 156.2
[M]- 268.95884858 156.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.